1-(4-bromophenyl)-2-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]propan-1-one bromide

Systemtic Name: 1-(4-bromophenyl)-2-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]propan-1-one bromide Openeye Name: 1-(4-bromophenyl)-2-[5-(2-hydroxyethyl)-4-methyl-thiazol-3-ium-3-yl]propan-1-one bromide CAS Name: 1-(4-bromophenyl)-2-[5-(2-hydroxyethyl)-4-methyl-3-thiazol-3-iumyl]-1-propanone bromide IUPAC Name: 1-(4-bromophenyl)-2-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]propan-1-one bromide Traditional Name: 1-(4-bromophenyl)-2-[5-(2-hydroxyethyl)-4-methyl-thiazol-3-ium-3-yl]propan-1-one bromide Formula: C15H17Br2NO2S MolecularWeight: 435.17398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=[N+]1C(C)C(=O)C2=CC=C(C=C2)Br)CCO.[Br-]

Isomeric SMILES

CC1=C(SC=[N+]1C(C)C(=O)C2=CC=C(C=C2)Br)CCO.[Br-]

InChI

InChI=1S/C15H17BrNO2S.BrH/c1-10-14(7-8-18)20-9-17(10)11(2)15(19)12-3-5-13(16)6-4-12;/h3-6,9,11,18H,7-8H2,1-2H3;1H/q+1;/p-1